SCHEMBL500039

SCHEMBL500039

Nc1cc([N+](=O)[O-])c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 6/20 0.48
HIF1A Q16665 1/20 0.48
VCAM1 P19320 1/20 0.46
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 2/20 0.45
ESPL1 Q14674 1/20 0.44
GPR35 Q9HC97 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8698196 0.91 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL17580458 0.89 ALDH1A1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL3990674 0.89 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29595940 0.89 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL14247146 0.87 MAPT (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL8095561 0.87 MAPT (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL30110723 0.84 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL564506 0.84 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL45486 0.84 TDP1 (0.60) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL9821008 0.82 MAPT (0.49) TDP1ATMALDH1A1HIF1ACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20250228239-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-07-17 US disclosed
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof ACEA Therapeutics, Inc. (US) 2025-05-01 US disclosed
US-20240376046-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-14 US disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 CN disclosed
EP-4376955-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-06-05 EP disclosed
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 EP disclosed
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US disclosed
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
US-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-6121265-A EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
CN-1036564-C Herbicidal glutarmides ROHM & HAAS (US) 1997-12-03 CN disclosed
EP-0783506-A1 NEW HETEROCYCLIC SUBSTITUTED IMIDAZOLOQUINOXALINONES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-07-16 EP disclosed
WO-1996010572-A1 NEW HETEROCYCLIC SUBSTITUTED IMIDAZOLOQUINOXALINONES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed
EP-0413832-A1 OXAZOLIDINEDIONE DERIVATIVES AND PRODUCTION THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-02-27 EP disclosed
EP-0379894-A2 Process for the preparation of (5-fluoro-2-nitro-4-heterocyclylphenoxy)-acetic-acid derivatives, and intermediates BAYER AG (DE) 1990-08-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 TDP1 3963/4885ATM 1641/4885ALDH1A1 158/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 TDP1 2609/4885ATM 2708/4885ALDH1A1 1572/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR TDP1 1403/4885ATM 991/4885ALDH1A1 276/4885
US-20250228239-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD TDP1 683/4885ATM 1965/4885ALDH1A1 443/4885
US-20240376046-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS ERAP1, XPO1, RRP15 TDP1 4154/4885ATM 4085/4885ALDH1A1 2435/4885
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof CHEK2, CDK2, CDK1 TDP1 1561/4885ATM 290/4885ALDH1A1 1877/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.